Geometry & MOs

Info

ID:	214175
PubChem CID:	81087221
Reduced:	O2N3C9H19 (1)
Stoich.:	A2B3C9D19 (1)
Weight, g/mol:	255.194677
ΔH_f, kcal/mol:	-119.63
Dipole, Da:	4.02
IP(EA), eV:	-9.36(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-acetyl-1,4-diazepan-1-yl)-3-(aminomethyl)pentan-1-one

Drug info:

PubChemData

Smile

CC(CC(=O)NC(C)(C)C(=O)N)CN

DOS

IR

Vibrations